2-Methyldodecane

CAT: 0127-OR1051729-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1051729-01Size:250 mg

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CAS Number

1560-97-0

MDL Number

MFCD00060926

Purity

95%

Smiles

CC(C)CCCCCCCCCC

Chemical Information

2-Methyldodecane

2-methyldodecane has been reported in Hypericum perforatum with data available.

CAS Number	1560-97-0
PubChem CID	15270
IUPAC Name	2-methyldodecane
Molecular Formula	C13H28
Molecular Weight	184.36
XLogP	7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	9
Heavy Atom Count	13
Formal Charge	0
Complexity	84

SMILES

CCCCCCCCCCC(C)C

InChI

InChI=1S/C13H28/c1-4-5-6-7-8-9-10-11-12-13(2)3/h13H,4-12H2,1-3H3

InChIKey

HGEMCUOAMCILCP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1560-97-0

CID: 15270

Formula: C13H28

MW: 184.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.36
XLogP3	7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	9
Exact Mass	184.219100893
Monoisotopic Mass	184.219100893
Topological Polar Surface Area	0 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	84
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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